copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

C42H47CuN10Ru+ — CID 16683891

IUPACcopper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCc1ccnc(-c2cc(CN3CCC[N-]CC[N-]CCC[N-]CC3)ccn2)c1.[Cu+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H31N6.2C10H8N2.Cu.Ru/c1-19-4-9-26-21(16-19)22-17-20(5-10-27-22)18-28-14-3-8-24-12-11-23-6-2-7-25-13-15-28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4-5,9-10,16-17H,2-3,6-8,11-15,18H2,1H3;2*1-8H;;/q-3;;;2*+2
InChIKeyUFKDDNCBXMLGBR-UHFFFAOYSA-N
MW856.52 g/mol
LogP8.45
Rot. Bonds5

About copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)

copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (PubChem CID 16683891) has the molecular formula C42H47CuN10Ru+ and a molecular weight of 856.52 g/mol. Its IUPAC name is copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+).

Molecular Properties

Compound Namecopper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
PubChem CID16683891
Molecular FormulaC42H47CuN10Ru+
Molecular Weight856.52 g/mol
Exact Mass856.23
IUPAC Namecopper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
SMILESCc1ccnc(-c2cc(CN3CCC[N-]CC[N-]CCC[N-]CC3)ccn2)c1.[Cu+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C22H31N6.2C10H8N2.Cu.Ru/c1-19-4-9-26-21(16-19)22-17-20(5-10-27-22)18-28-14-3-8-24-12-11-23-6-2-7-25-13-15-28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4-5,9-10,16-17H,2-3,6-8,11-15,18H2,1H3;2*1-8H;;/q-3;;;2*+2
InChIKeyUFKDDNCBXMLGBR-UHFFFAOYSA-N
XLogP8.45
TPSA122.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.52
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) with MolForge

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Related Compounds

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CID 5489106
Zinc tetra(4-N-methylpyridyl)porphine
CID 4547397
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Gold-tetramethylpyridiumylporphyrin
CID 5743153
1-[6-[5-[[bis(2-pyridylmethyl)amino]methyl]-2-pyridyl]-3-pyridyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073098

Frequently Asked Questions

What is the IUPAC name of copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The IUPAC name of copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) (CID 16683891) is copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+).
What is the SMILES notation for copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The canonical SMILES for copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is Cc1ccnc(-c2cc(CN3CCC[N-]CC[N-]CCC[N-]CC3)ccn2)c1.[Cu+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
The InChIKey is UFKDDNCBXMLGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N6.2C10H8N2.Cu.Ru/c1-19-4-9-26-21(16-19)22-17-20(5-10-27-22)18-28-14-3-8-24-12-11-23-6-2-7-25-13-15-28;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4-5,9-10,16-17H,2-3,6-8,11-15,18H2,1H3;2*1-8H;;/q-3;;;2*+2.
What are the key properties of copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+)?
copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) has a molecular weight of 856.52 g/mol, XLogP of 8.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]-1-aza-4,8,11-triazanidacyclotetradecane;bis(2-pyridin-2-ylpyridine);ruthenium(2+) is sourced from PubChem (CID 16683891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).